![5-[2-(2-Chlorophenyl)-4-quinolinyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione structure](/static/products/5886/588687-52-9.webp)
5-[2-(2-Chlorophenyl)-4-quinolinyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione
TL;DR: 5-[2-(2-Chlorophenyl)-4-quinolinyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione (CAS 588687-52-9) is a chemical compound with molecular formula C18H13ClN4S and molecular weight 352.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(2-chlorophenyl)quinolin-4-yl]-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-[2-(2-Chlorophenyl)-4-quinolinyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione, 3-[2-(2-chlorophenyl)quinolin-4-yl]-4-methyl-1H-1,2,4-triazole-5-thione, 5-[2-(2-chlorophenyl)quinolin-4-yl]-4-methyl-4H-1,2,4-triazole-3-thiol, 5-[2-(2-chlorophenyl)(4-quinolyl)]-4-methyl-1,2,4-triazole-3-thiol, 5-[2-(2-chlorophenyl)-4-quinolinyl]-4-methyl-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C18H13ClN4S |
|---|---|
| Molecular Weight | 352.05 g/mol |
| LogP | 5.01329 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.05493 |
| Heavy Atoms | 24 |
| Complexity | 1113.4102 |
Chemical Identifiers
| CAS Number | 588687-52-9 |
|---|---|
| SMILES | CN1C(=NNC1=S)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl |
Product Overview
5-[2-(2-Chlorophenyl)-4-quinolinyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione (CAS 588687-52-9), with molecular formula C18H13ClN4S and molecular weight 352.05 g/mol. IUPAC: 3-[2-(2-chlorophenyl)quinolin-4-yl]-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-[2-(2-Chlorophenyl)-4-quinolinyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione
Property Insights of 5-[2-(2-Chlorophenyl)-4-quinolinyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione
The XLogP value of 5.01329 indicates that 5-[2-(2-Chlorophenyl)-4-quinolinyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 5-[2-(2-Chlorophenyl)-4-quinolinyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[2-(2-Chlorophenyl)-4-quinolinyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[2-(2-Chlorophenyl)-4-quinolinyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione?
The CAS number of 5-[2-(2-Chlorophenyl)-4-quinolinyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione is 588687-52-9.
What is the molecular formula of 5-[2-(2-Chlorophenyl)-4-quinolinyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-[2-(2-Chlorophenyl)-4-quinolinyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione is C18H13ClN4S.
What is the molecular weight of 5-[2-(2-Chlorophenyl)-4-quinolinyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-[2-(2-Chlorophenyl)-4-quinolinyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione is 352.05 g/mol.
Where can I buy 5-[2-(2-Chlorophenyl)-4-quinolinyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-[2-(2-Chlorophenyl)-4-quinolinyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[2-(2-Chlorophenyl)-4-quinolinyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-[2-(2-Chlorophenyl)-4-quinolinyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.